Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TYR | P14679 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6451799 | 0.96 | ESR1 (0.43) | ESR1ESR2BACE1BCHEACHE | |
| SCHEMBL21074680 | 0.84 | ESR1 (0.42) | ESR1ESR2BACE1CES2BCHE | |
| SCHEMBL6450675 | 0.82 | GABRA1 (0.43) | ESR1ESR2BCHEACHECNR1 | |
| SCHEMBL6449393 | 0.80 | ESR1 (0.51) | ESR1ESR2MEN1TP53MAPT | |
| SCHEMBL6472155 | 0.79 | CA1 (0.37) | ESR1ESR2HSP90AA1HSP90AB1TSHR | |
| SCHEMBL6056596 | 0.75 | CA1 (0.34) | ESR1ESR2BACE1 | |
| SCHEMBL6450658 | 0.74 | ESR1 (0.42) | ESR1ESR2ACHETP53CYP3A4 | |
| SCHEMBL6451055 | 0.74 | ACHE (0.45) | ESR1ESR2ACHECYP3A4ALOX5 | |
| SCHEMBL6453710 | 0.74 | ESR1 (0.54) | ESR1ESR2MEN1TP53MAPT | |
| SCHEMBL6056588 | 0.73 | ESR1 (0.43) | ESR1ESR2BACE1CES2HSD17B1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050148570-A1 | Novel substituted alkane compounds and uses thereof | HUANG LIREN (US) | 2005-07-07 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050148570-A1 | Novel substituted alkane compounds and uses thereof | ALK, CYP11B2, ALKBH2 | ESR1 1005/4885ESR2 293/4885BACE1 1458/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.